| SpectraBase Compound ID | FToMfxjtb0C |
|---|---|
| InChI | InChI=1S/C12H12N2/c1-10-9-14(8-4-7-13)12-6-3-2-5-11(10)12/h2-3,5-6,9H,4,8H2,1H3 |
| InChIKey | RGVHVYXPVVRNAJ-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C12H12N2 |
| Exact Mass | 184.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LOIbPKBrJ6 |
|---|---|
| Name | 3-(3-Methyl-1-indolyl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.100048394 u |
| Formula | C12H12N2 |
| InChI | InChI=1S/C12H12N2/c1-10-9-14(8-4-7-13)12-6-3-2-5-11(10)12/h2-3,5-6,9H,4,8H2,1H3 |
| InChIKey | RGVHVYXPVVRNAJ-UHFFFAOYSA-N |
| Molecular Weight | 184.242 g/mol |
| SMILES | C=1N(C2=C(C1C)C=CC=C2)CCC#N |